3-(dimethylsulfamoylamino)prop-1-yne

C5H10N2O2S — CID 25037409

IUPAC3-(dimethylsulfamoylamino)prop-1-yne
SMILESC#CCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H10N2O2S/c1-4-5-6-10(8,9)7(2)3/h1,6H,5H2,2-3H3
InChIKeyANNAQUWSBHAXMA-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.98
Rot. Bonds3

About 3-(dimethylsulfamoylamino)prop-1-yne

3-(dimethylsulfamoylamino)prop-1-yne (PubChem CID 25037409) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)prop-1-yne.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)prop-1-yne
PubChem CID25037409
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name3-(dimethylsulfamoylamino)prop-1-yne
SMILESC#CCNS(=O)(=O)N(C)C
InChIInChI=1S/C5H10N2O2S/c1-4-5-6-10(8,9)7(2)3/h1,6H,5H2,2-3H3
InChIKeyANNAQUWSBHAXMA-UHFFFAOYSA-N
XLogP-0.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)prop-1-yne?
The IUPAC name of 3-(dimethylsulfamoylamino)prop-1-yne (CID 25037409) is 3-(dimethylsulfamoylamino)prop-1-yne.
What is the SMILES notation for 3-(dimethylsulfamoylamino)prop-1-yne?
The canonical SMILES for 3-(dimethylsulfamoylamino)prop-1-yne is C#CCNS(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoylamino)prop-1-yne?
The InChIKey is ANNAQUWSBHAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-4-5-6-10(8,9)7(2)3/h1,6H,5H2,2-3H3.
What are the key properties of 3-(dimethylsulfamoylamino)prop-1-yne?
3-(dimethylsulfamoylamino)prop-1-yne has a molecular weight of 162.21 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)prop-1-yne is sourced from PubChem (CID 25037409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).